2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-({[(pyridin-3-yl)methyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-({[(pyridin-3-yl)methyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-({[(pyridin-3-yl)methyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3096-0305 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-({[(pyridin-3-yl)methyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 492.02 |
| Molecular Formula: | C24 H18 Cl N5 O S2 |
| Smiles: | C(c1cccnc1)N/C=C1/C(CSc2ccc(cc2)[Cl])=NN(C1=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.4151 |
| logD: | 4.414 |
| logSw: | -4.7398 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.231 |
| InChI Key: | ARSUICUCZVNAFE-UHFFFAOYSA-N |